Basic information
- CAS
24401-39-6- Standard SMILES
C=CCC(C)(C=O)c1ccccc1- InChIKey
OORUKFHUHFCMAP-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 2-Methyl-2-phenylpent-4-enal
- IUPAC
- 2-methyl-2-phenylpent-4-enal
- English name
- 2-methyl-2-phenylpent-4-enal
- Molecular formula
- C12H14O
- Molecular weight
- 174.24
Names & synonyms
2-Methyl-2-phenylpent-4-enal24401-39-6EINECS 246-226-52-methyl-2-phenyl-4-pentenalSCHEMBL47108262-methyl-2-phenyl-pent-4-enalOORUKFHUHFCMAP-UHFFFAOYSA-DTXSID30947272NS00049825EN300-1621343InChI=1/C12H14O/c1-3-9-12(2,10-13)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H32-Phenyl-2-methyl-4-pentenal
Show more names
α-Methyl-α-(2-propenyl)benzeneacetaldehydeBenzeneacetaldehyde, α-methyl-α-2-propen-1-yl-
Database identifiers
- CAS
24401-39-6- PubChem CID
- 91177
- DTXSID
DTXSID30947272- EC Number
- 246-226-5
- Nikkaji
- J287.238B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 136 · 136-140 °C(Press: 31 Torr)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
Loading…